SCHEMBL3612945

SCHEMBL3612945

NC1CCN(CC2CCc3c(F)cnc4ccc(=O)n2c34)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.36
MTOR P42345 7/20 0.33
TOP2A P11388 1/20 0.32
KDM1A O60341 3/20 0.32
FKBP1A P62942 1/20 0.31
FKBP1B P68106 1/20 0.31
PRKDC P78527 1/20 0.31
ATM Q13315 1/20 0.31
DPP4 P27487 1/20 0.30
PIM1 P11309 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4203330 0.90 KCNH2 (0.36) KCNH2MTORTOP2AKDM1AFKBP1A
SCHEMBL3607054 0.82 KDM1A (0.32) KDM1A
SCHEMBL2822698 0.82 MTOR (0.37) KCNH2MTORTOP2AFKBP1AFKBP1B
Hydrochloric Acid SCHEMBL3611488 0.81 KCNH2 (0.38) KCNH2MTORTOP2AFKBP1AFKBP1B
Hydrochloric Acid SCHEMBL3611995 0.81 KCNH2 (0.37) KCNH2MTORTOP2AFKBP1AFKBP1B
Hydrochloric Acid SCHEMBL3607827 0.81 KCNH2 (0.38) KCNH2MTORTOP2AFKBP1AFKBP1B
Trifluoroacetic Acid SCHEMBL3611349 0.81 DPP4 (0.37) KCNH2DPP4
SCHEMBL3617948 0.81 MTOR (0.32) KCNH2MTOR
SCHEMBL3602018 0.80 KCNH2 (0.30) KCNH2
SCHEMBL3611350 0.80 DPP4 (0.32) KCNH2DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS KCNH2 2914/4885MTOR 94/4885TOP2A 78/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.